BioLiP

PDB

BioLiP

PDB CCD ID:

R2I

Number of entries in BioLiP:

Chemical formula:

C15 H14 F2 N2 O4 Ru2

InChI:

InChI=1S/C13H10F2N2.2CH2O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*2-1-3;;/h1-8H,9H2;2*1H2;;/q3*-2;2*+3

InChIKey:

TVQMJLRZOPYFSZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc(cc1)N2CN(c3ccc(F)cc3)[Ru]45OCO[Ru]24OCO5
OpenEye OEToolkits 3.1.0.0	c1cc(ccc1N2CN([Ru]34[Ru]2(OCO3)OCO4)c5ccc(cc5)F)F

Name:

9,11-bis(4-fluorophenyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).